4-epi-6-Oxodocetaxel

Base Information Edit

Chemical Name:4-epi-6-Oxodocetaxel
CAS No.:162784-72-7
Molecular Formula:C₄₃H₅₁NO₁₄
Molecular Weight:805.876
Hs Code.:
UNII:23YRN771SO
DSSTox Substance ID:DTXSID70167472
Wikidata:Q27253786
Mol file:162784-72-7.mol

Synonyms:162784-72-7;4-epi-6-Oxodocetaxel;7-EPI-10-OXO-DOCETAXEL;Docetaxel impurity D;Docetaxel Impurity 2;(-)-4-epi-6-Oxodocetaxel;10-Deoxy-10-oxo-7-epi-docetaxel;7-Epi-10-oxo-docetaxel (Docetaxel Impurity D);UNII-23YRN771SO;23YRN771SO;Docetaxel Impurity D (7-Epi-10-Oxo-Docetaxel);Docetaxel trihydrate impurity D [EP];Docetaxel impurity, 4-epi-6-oxodocetaxel- [USP];[(1S,2S,3R,4S,7R,9R,10S,15S)-4-acetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11,12-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;Docetaxel Impurity;7-Epi-10-oxo Docetaxel;5beta,20-Epoxy-1,7alpha-dihydroxy-9,10-dioxotax-11-ene-2alpha,4,13alpha-triyl 4-acetate 2-benzoate 13-((2R,3S)-3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-3-phenylpropanoate);(2b,5b,7a,13a)-4-Acetoxy-13-(((2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl)oxy)-1,7-dihydroxy-9,10-dioxo-5,20-epoxytax-11-en-2-yl Benzoate;SCHEMBL12127077;DTXSID70167472;CS-3193;HY-16675;4-Epi-6-oxodocetaxel;Docetaxel EP Impurity D;A899359;J-009975;DOCETAXEL TRIHYDRATE IMPURITY D [EP IMPURITY];Q27253786;DOCETAXEL IMPURITY, 4-EPI-6-OXODOCETAXEL- [USP IMPURITY];5.BETA.,20-EPOXY-1,7.ALPHA.-DIHYDROXY-9,10-DIOXOTAX-11-ENE-2.ALPHA.,4,13.ALPHA.-TRIYL 4-ACETATE 2-BENZOATE 13-((2R,3S)-3-(((1,1-DIMETHYLETHOXY)CARBONYL)AMINO)-2-HYDROXY-3-PHENYLPROPANOATE);Benzenepropanoic acid, b-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxy-,(2aR,4R,4aS,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-ylester, (aR,bS)-

Suppliers and Price of 4-epi-6-Oxodocetaxel

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
7-Epi-10-oxoDocetaxel
10mg
$ 1185.00

Medical Isotopes, Inc.
7-Epi-10-oxo-docetaxel(DocetaxelImpurityD)
2.5 mg
$ 3200.00

Crysdot
7-Epi-10-oxo-docetaxel 98+%
5mg
$ 2205.00

ChemScene
7-Epi-10-oxo-docetaxel 98.09%
5mg
$ 3780.00

ChemScene
7-Epi-10-oxo-docetaxel 98.09%
1mg
$ 864.00

Biosynth Carbosynth
Docetaxel impurity D
25 mg
$ 2500.00

Biosynth Carbosynth
Docetaxel impurity D
10 mg
$ 1450.00

Biosynth Carbosynth
Docetaxel impurity D
5 mg
$ 1000.00

Biosynth Carbosynth
Docetaxel impurity D
2 mg
$ 520.00

Biosynth Carbosynth
Docetaxel impurity D
1 mg
$ 300.00

Total 18 raw suppliers

Chemical Property of 4-epi-6-Oxodocetaxel Edit

Chemical Property:

Boiling Point:887.3±65.0 °C(Predicted)
PKA:11.19±0.46(Predicted)
PSA：224.78000
Density:1.37±0.1 g/cm3 (20 ºC 760 Torr)
LogP:3.67220
Storage Temp.:Refrigerator
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:13
Exact Mass:805.33095530
Heavy Atom Count:58
Complexity:1700

Purity/Quality:

99% ^*data from raw suppliers

7-Epi-10-oxoDocetaxel ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C2C(=O)C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C
Isomeric SMILES:CC1=C2C(=O)C(=O)[C@@]3([C@@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C
Uses 7-Epi-10-oxo Docetaxel (Docetaxel EP Impurity D) is a Docetaxel (D494420) injection impurity D. Docetaxel injection impurity D Docetaxel (D494420) injection

Technology Process of 4-epi-6-Oxodocetaxel

There total 5 articles about 4-epi-6-Oxodocetaxel which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 54.0%